{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0611529999999996 -2.0443676999999996 6.262407399999999 ] [ -0.6294292999999999 -0.5350111999999999 0.46008959999999993 ] [ 0.26981159999999993 -3.7010205999999997 -1.3729394999999998 ] [ 3.5091090999999994 -0.007374599999999999 1.0110607999999999 ] [ -1.3506601999999999 1.9379356999999997 0.49918679999999993 ] [ -4.3725781999999995 4.0787100999999994 -3.1278371999999997 ] [ -0.49810179999999993 -0.6384477999999999 -0.9591440999999999 ] [ 0.010695699999999999 0.9095761999999998 -2.7728238999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.904507809699001e-09 -3.275438160244321e-09 1.003348280886869e-08 ] [ -1.008456917214976e-09 -8.571824435683006e-10 7.371448066664062e-10 ] [ 4.322858411021543e-10 -5.929688727272659e-09 -2.199691586795643e-09 ] [ 5.622212606176768e-09 -1.18154118050964e-11 1.619897989313347e-09 ] [ -2.163996212913766e-09 3.104915296734433e-09 7.997854269612309e-10 ] [ -7.005642622377777e-09 6.534814019079802e-09 -5.011347676795984e-09 ] [ -7.98047065313341e-10 -1.022906147188705e-09 -1.536718265658959e-09 ] [ 1.71364006242738e-11 1.457301734482511e-09 -4.442553662776751e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.135864074190156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.706774082706751e-18 } }